RDKit::RecursiveStructureQuery Class Reference
allows use of recursive structure queries (e.g. recursive SMARTS) More...
#include <QueryOps.h>
Public Member Functions | |
| RecursiveStructureQuery () | |
| RecursiveStructureQuery (ROMol const *query) | |
| initialize from an ROMol pointer | |
| void | setQueryMol (ROMol const *query) |
| sets the molecule we'll use recursively | |
| ROMol const * | getQueryMol () const |
| returns a pointer to our query molecule | |
| Queries::Query< int, Atom const *, true > * | copy () const |
| returns a copy of this query | |
Static Public Member Functions | |
| static int | getAtIdx (Atom const *at) |
| returns the index of an atom | |
Detailed Description
allows use of recursive structure queries (e.g. recursive SMARTS)Definition at line 244 of file QueryOps.h.
Constructor & Destructor Documentation
| RDKit::RecursiveStructureQuery::RecursiveStructureQuery | ( | ) | [inline] |
Definition at line 246 of file QueryOps.h.
References getAtIdx(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setDataFunc(), and Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setDescription().
Referenced by copy().
| RDKit::RecursiveStructureQuery::RecursiveStructureQuery | ( | ROMol const * | query | ) | [inline] |
initialize from an ROMol pointer
Notes
- this takes over ownership of the pointer
Definition at line 255 of file QueryOps.h.
References getAtIdx(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setDataFunc(), Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setDescription(), and setQueryMol().
Member Function Documentation
| static int RDKit::RecursiveStructureQuery::getAtIdx | ( | Atom const * | at | ) | [inline, static] |
returns the index of an atom
Definition at line 261 of file QueryOps.h.
References RDKit::Atom::getIdx().
Referenced by RecursiveStructureQuery().
| void RDKit::RecursiveStructureQuery::setQueryMol | ( | ROMol const * | query | ) | [inline] |
sets the molecule we'll use recursively
Notes
- this takes over ownership of the pointer
Definition at line 268 of file QueryOps.h.
Referenced by RecursiveStructureQuery().
| ROMol const* RDKit::RecursiveStructureQuery::getQueryMol | ( | ) | const [inline] |
| Queries::Query<int,Atom const *,true>* RDKit::RecursiveStructureQuery::copy | ( | ) | const [inline, virtual] |
returns a copy of this query
Reimplemented from Queries::SetQuery< MatchFuncArgType, DataFuncArgType, needsConversion >.
Definition at line 276 of file QueryOps.h.
References Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::d_description, Queries::SetQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::d_set, dp_queryMol, Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::getNegation(), Queries::SetQuery< MatchFuncArgType, DataFuncArgType, needsConversion >::insert(), RecursiveStructureQuery(), and Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >::setNegation().
The documentation for this class was generated from the following file:
